4-amino-1,2-dimethylpiperidine-4-carboxamide

C8H17N3O — CID 79003697

IUPAC4-amino-1,2-dimethylpiperidine-4-carboxamide
SMILESCC1CC(N)(C(N)=O)CCN1C
InChIInChI=1S/C8H17N3O/c1-6-5-8(10,7(9)12)3-4-11(6)2/h6H,3-5,10H2,1-2H3,(H2,9,12)
InChIKeyPMTWQVPXTNZXQO-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.72
Rot. Bonds1

About 4-amino-1,2-dimethylpiperidine-4-carboxamide

4-amino-1,2-dimethylpiperidine-4-carboxamide (PubChem CID 79003697) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-amino-1,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1,2-dimethylpiperidine-4-carboxamide
PubChem CID79003697
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name4-amino-1,2-dimethylpiperidine-4-carboxamide
SMILESCC1CC(N)(C(N)=O)CCN1C
InChIInChI=1S/C8H17N3O/c1-6-5-8(10,7(9)12)3-4-11(6)2/h6H,3-5,10H2,1-2H3,(H2,9,12)
InChIKeyPMTWQVPXTNZXQO-UHFFFAOYSA-N
XLogP-0.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of 4-amino-1,2-dimethylpiperidine-4-carboxamide (CID 79003697) is 4-amino-1,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 4-amino-1,2-dimethylpiperidine-4-carboxamide is CC1CC(N)(C(N)=O)CCN1C.
What is the InChIKey of 4-amino-1,2-dimethylpiperidine-4-carboxamide?
The InChIKey is PMTWQVPXTNZXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-5-8(10,7(9)12)3-4-11(6)2/h6H,3-5,10H2,1-2H3,(H2,9,12).
What are the key properties of 4-amino-1,2-dimethylpiperidine-4-carboxamide?
4-amino-1,2-dimethylpiperidine-4-carboxamide has a molecular weight of 171.24 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 79003697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).